Trimethylacetamide

HCID 12957

Notes Reactions

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Basic information

CAS: 754-10-9
Standard SMILES: CC(C)(C)C(N)=O
InChIKey: XIPFMBOWZXULIA-UHFFFAOYSA-N
Molecular formula: C5H11NO
Average molar mass: 101.15 g/mol
Monoisotopic mass: 101.08406397

Names & identifiers

Preferred name: Trimethylacetamide
IUPAC: 2,2-dimethylpropanamide
English name: Pivalamide
Molecular formula: C5H11NO
Molecular weight: 101.15

Names & synonyms

Pivalamide754-10-9TRIMETHYLACETAMIDE2,2-dimethylpropanamide2,2-DimethylpropionamidePropanamide, 2,2-dimethyl-pivalic acid amide2,2-Dimethyl-propionamideneopentanamideFES86MR7ZIEINECS 212-043-4NSC 17584

Show more names

AKOS 94230PIVALOYLAMINEPIVALOYLAMIDEPIVALIC AMIDEPivalamide>

NSC-17584alpha,alpha-dimethylpropionamideDTXSID6061072XIPFMBOWZXULIA-UHFFFAOYSA-.ALPHA.,.ALPHA.-DIMETHYLPROPIONAMIDERefChem:899795DTXCID7047778212-043-4

Database identifiers

CAS: 754-10-9
PubChem CID: 12957
DTXSID: DTXSID6061072
ChEMBL: CHEMBL345235
UNII: FES86MR7ZI
EC Number: 212-043-4
Nikkaji: J100.747E

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 43.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 80.6

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Melting point: 154 · 154-157 °C (lit.)
Boiling point: 212 °C · 212 °C (lit.)
Density: 0.903 · 0.903±0.06 g/cm3 (20 ºC 760 Torr)
refractive index: 1.438 · 1.4380 (estimate)
Flash point: 212 °C · 212°C
storage temp.: Sealed in dry,Room Temperature
pka: 16.6 · 16.60±0.50(Predicted)
form: Crystalline Powder
color: White to very slightly yellow
BRN: 1742147 · 1742147
InChI: InChI=1S/C5H11NO/c1-5(2,3)4(6)7/h1-3H3,(H2,6,7)
InChIKey: XIPFMBOWZXULIA-UHFFFAOYSA-N
SMILES: C(N)(=O)C(C)(C)C
CAS DataBase Reference: 754 · 754-10-9(CAS DataBase Reference)
FDA UNII: 86 MR7ZI · FES86MR7ZI
EPA Substance Registry System: 2 · Propanamide, 2,2-dimethyl- (754-10-9)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264b-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362+P364-P403+P233-P501c
Hazard Codes: Xn
Risk Statements: 22 · 22
Safety Statements: 24 · 24/25
WGK Germany: 3 · 3
TSCA: TSCA listed
HS Code: 29241990 · 29241990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

wgk: 3
tsca: TSCA listed
hs_code: 29241990
risk_code: 22
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xn
safety_code: 24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Hazard Classifications: Acute Tox. 4 Oral
Precautionary statements: P261-P264b-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P330-P362+P364-P403+P233-P501c